molfeat
K-Dense-AI/claude-scientific-skills
28,042Added Jun 5, 2026
molecular-featurizationcheminformaticsqsarsmilesecfpmachine-learningchembertamolecular-ml
Summary
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.